N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine

C14H10N2O2 — CID 137201316

IUPACN-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C14H10N2O2/c17-16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)18-14/h1-9,17H
InChIKeyXNVXBJFGITVHSE-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.05
Rot. Bonds2

About N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine

N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine (PubChem CID 137201316) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
PubChem CID137201316
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC NameN-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
SMILESON=C(c1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C14H10N2O2/c17-16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)18-14/h1-9,17H
InChIKeyXNVXBJFGITVHSE-UHFFFAOYSA-N
XLogP3.05
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-bis(1,3-benzoxazol-2-yl)ethenol
CID 135451442
N-[2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethylidene]hydroxylamine
CID 592364
N-(diaminomethylidene)-1,3-benzoxazole-2-carboxamide
CID 155671130
N-sulfanyloxy-1,3-benzoxazole-2-carbothioamide
CID 88578611
(Z)-2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enal
CID 2735197
(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
CID 13211252
S-(1,3-benzoxazol-2-yl) benzenecarbothioate
CID 794341
2-(1,3-benzoxazol-2-yl)-3-(4-tert-butylphenyl)-1-phenylprop-2-en-1-one
CID 2913292
2-[(E)-oct-4-en-4-yl]-1,3-benzoxazole
CID 102043111
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
CID 5278386
4-amino-1-(1,3-benzoxazol-2-yl)butan-1-one
CID 173180639
1-(1,3-benzoxazol-2-yl)-2-[4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 12701949

Frequently Asked Questions

What is the IUPAC name of N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine?
The IUPAC name of N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine (CID 137201316) is N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine is ON=C(c1ccccc1)c1nc2ccccc2o1.
What is the InChIKey of N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine?
The InChIKey is XNVXBJFGITVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)18-14/h1-9,17H.
What are the key properties of N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine?
N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine has a molecular weight of 238.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 137201316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).